SCHEMBL6936964

SCHEMBL6936964

CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCCOc1cccc(CC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.62
PPARA Q07869 10/20 0.61
PPARD Q03181 4/20 0.61
PLA2G4B P0C869 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6933038 0.94 PPARD (0.61) PPARGPPARAPPARDPLA2G4B
SCHEMBL6936584 0.89 PLA2G4B (0.59) PPARGPPARAPPARDPLA2G4B
SCHEMBL6934325 0.87 PPARG (0.59) PPARGPPARAPPARDPLA2G4B
SCHEMBL6933046 0.86 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL5207075 0.85 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL6936579 0.83 PPARG (0.63) PPARGPPARAPPARD
SCHEMBL5208770 0.83 PPARD (0.58) PPARGPPARAPPARD
SCHEMBL5208194 0.83 PPARD (0.55) PPARGPPARAPPARD
SCHEMBL5205261 0.82 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL6932822 0.82 PPARD (0.56) PPARGPPARAPPARD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP claimed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP claimed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed